#DFF:MSD
#Model Structure Data File    Energy = 0.0
PBC:   34.116478   34.116478   34.116478   90.000000   90.000000   90.000000  
200
1      C0     6    c2           c_4   -0.129000   8.714000     17.904371   -1.774307     1    UNK       1
2      C1     6    c1           c_4   -0.086000   8.543702     17.172382   -0.451998     1    UNK       2
3      C2     6    c1           c_4   -0.086000   8.020448     15.762914   -0.657170     1    UNK       3
4      C3     6    c1           c_4   -0.086000   7.851813     15.071391    0.682296     1    UNK       4
5      C4     6    c1           c_4   -0.086000   7.406149     13.633608    0.479622     1    UNK       5
6      C5     6    c2           c_4   -0.129000   7.172151     12.953468    1.816753     1    UNK       6
7      H6     1    h3           h_1    0.043000   8.448604     17.259275   -2.632071     1    UNK       1
8      H7     1    h3           h_1    0.043000   8.063220     18.803091   -1.775523     1    UNK       1
9      H8     1    h3           h_1    0.043000   9.776294     18.229346   -1.875854     1    UNK       1
10     H9     1    h3           h_1    0.043000   7.831915     17.742145    0.178269     1    UNK       2
11     H10    1    h3           h_1    0.043000   9.530588     17.129181    0.058876     1    UNK       2
12     H11    1    h3           h_1    0.043000   8.743282     15.197257   -1.286565     1    UNK       3
13     H12    1    h3           h_1    0.043000   7.041334     15.811574   -1.177975     1    UNK       3
14     H13    1    h3           h_1    0.043000   7.086618     15.622174    1.275859     1    UNK       4
15     H14    1    h3           h_1    0.043000   8.819857     15.088192    1.224516     1    UNK       4
16     H15    1    h3           h_1    0.043000   8.185102     13.081561   -0.085270     1    UNK       5
17     H16    1    h3           h_1    0.043000   6.459052     13.626664   -0.097149     1    UNK       5
18     H17    1    h3           h_1    0.043000   6.807100     11.919053    1.643845     1    UNK       6
19     H18    1    h3           h_1    0.043000   8.126667     12.920973    2.386898     1    UNK       6
20     H19    1    h3           h_1    0.043000   6.413917     13.522836    2.391874     1    UNK       6
21     C0     6    c2           c_4   -0.129000   5.075903    -0.996995     15.940156    2    UNK       7
22     C1     6    c1           c_4   -0.086000   6.401435    -0.634151     16.591785    2    UNK       8
23     C2     6    c1           c_4   -0.086000   7.295226    -1.849581     16.754127    2    UNK       9
24     C3     6    c1           c_4   -0.086000   8.599334    -1.450320     17.417980    2    UNK      10
25     C4     6    c1           c_4   -0.086000   9.530878    -2.646474     17.509392    2    UNK      11
26     C5     6    c2           c_4   -0.129000   10.812861   -2.271089     18.231105    2    UNK      12
27     H6     1    h3           h_1    0.043000   5.029615    -2.072068     15.686345    2    UNK       7
28     H7     1    h3           h_1    0.043000   4.250523    -0.748789     16.638980    2    UNK       7
29     H8     1    h3           h_1    0.043000   4.951850    -0.395569     15.008874    2    UNK       7
30     H9     1    h3           h_1    0.043000   6.196521    -0.191232     17.586943    2    UNK       8
31     H10    1    h3           h_1    0.043000   6.914869     0.119373     15.955082    2    UNK       8
32     H11    1    h3           h_1    0.043000   7.499415    -2.284530     15.750274    2    UNK       9
33     H12    1    h3           h_1    0.043000   6.773038    -2.602958     17.380239    2    UNK       9
34     H13    1    h3           h_1    0.043000   8.378068    -1.066987     18.440380    2    UNK      10
35     H14    1    h3           h_1    0.043000   9.080644    -0.648381     16.820797    2    UNK      10
36     H15    1    h3           h_1    0.043000   9.772538    -3.005391     16.487919    2    UNK      11
37     H16    1    h3           h_1    0.043000   9.025203    -3.456099     18.073758    2    UNK      11
38     H17    1    h3           h_1    0.043000   11.459063   -3.169467     18.323365    2    UNK      12
39     H18    1    h3           h_1    0.043000   11.347001   -1.486221     17.651537    2    UNK      12
40     H19    1    h3           h_1    0.043000   10.567342   -1.885744     19.241597    2    UNK      12
41     C0     6    c2           c_4   -0.129000   17.805335    12.954238   -1.246871     3    UNK      13
42     C1     6    c1           c_4   -0.086000   18.420757    14.344713   -1.280696     3    UNK      14
43     C2     6    c1           c_4   -0.086000   19.017500    14.724213    0.061827     3    UNK      15
44     C3     6    c1           c_4   -0.086000   19.608415    16.119463   -0.008209     3    UNK      16
45     C4     6    c1           c_4   -0.086000   20.279110    16.473366    1.307783     3    UNK      17
46     C5     6    c2           c_4   -0.129000   20.816466    17.892865    1.268582     3    UNK      18
47     H6     1    h3           h_1    0.043000   17.934702    12.477430   -0.257799     3    UNK      13
48     H7     1    h3           h_1    0.043000   16.722890    13.033144   -1.477742     3    UNK      13
49     H8     1    h3           h_1    0.043000   18.293857    12.321344   -2.024804     3    UNK      13
50     H9     1    h3           h_1    0.043000   17.631747    15.073904   -1.553185     3    UNK      14
51     H10    1    h3           h_1    0.043000   19.217228    14.361022   -2.056694     3    UNK      14
52     H11    1    h3           h_1    0.043000   19.811396    13.989944    0.324830     3    UNK      15
53     H12    1    h3           h_1    0.043000   18.220921    14.694599    0.834391     3    UNK      15
54     H13    1    h3           h_1    0.043000   18.789814    16.844853   -0.220119     3    UNK      16
55     H14    1    h3           h_1    0.043000   20.354797    16.157394   -0.828495     3    UNK      16
56     H15    1    h3           h_1    0.043000   21.112830    15.767032    1.499170     3    UNK      17
57     H16    1    h3           h_1    0.043000   19.534570    16.393951    2.125745     3    UNK      17
58     H17    1    h3           h_1    0.043000   21.263843    18.143642    2.253537     3    UNK      18
59     H18    1    h3           h_1    0.043000   21.592799    17.972376    0.475987     3    UNK      18
60     H19    1    h3           h_1    0.043000   19.986554    18.594896    1.048895     3    UNK      18
61     C0     6    c2           c_4   -0.129000   10.222235   -0.577599    -1.903346     4    UNK      19
62     C1     6    c1           c_4   -0.086000   9.179785    -0.430257    -0.805668     4    UNK      20
63     C2     6    c1           c_4   -0.086000   8.459992    -1.739302    -0.539604     4    UNK      21
64     C3     6    c1           c_4   -0.086000   7.421603    -1.548995     0.549588     4    UNK      22
65     C4     6    c1           c_4   -0.086000   6.754387    -2.873459     0.877507     4    UNK      23
66     C5     6    c2           c_4   -0.129000   5.668211    -2.680463     1.920693     4    UNK      24
67     H6     1    h3           h_1    0.043000   10.272911   -1.616659    -2.277687     4    UNK      19
68     H7     1    h3           h_1    0.043000   9.962617     0.102251    -2.740972     4    UNK      19
69     H8     1    h3           h_1    0.043000   11.219946   -0.285387    -1.498904     4    UNK      19
70     H9     1    h3           h_1    0.043000   8.444573     0.338399    -1.117337     4    UNK      20
71     H10    1    h3           h_1    0.043000   9.689008    -0.093304     0.123825     4    UNK      20
72     H11    1    h3           h_1    0.043000   9.204778    -2.503223    -0.222880     4    UNK      21
73     H12    1    h3           h_1    0.043000   7.963783    -2.076872    -1.473464     4    UNK      21
74     H13    1    h3           h_1    0.043000   6.657404    -0.821148     0.192596     4    UNK      22
75     H14    1    h3           h_1    0.043000   7.916694    -1.146660     1.457556     4    UNK      22
76     H15    1    h3           h_1    0.043000   7.514184    -3.584796     1.261350     4    UNK      23
77     H16    1    h3           h_1    0.043000   6.297050    -3.285877    -0.044698     4    UNK      23
78     H17    1    h3           h_1    0.043000   5.166851    -3.652452     2.113174     4    UNK      24
79     H18    1    h3           h_1    0.043000   6.123528    -2.303408     2.862892     4    UNK      24
80     H19    1    h3           h_1    0.043000   4.924651    -1.947472     1.546920     4    UNK      24
81     C0     6    c2           c_4   -0.129000   8.580174     12.990442    15.155323    5    UNK      25
82     C1     6    c1           c_4   -0.086000   7.840251     14.255260    15.562821    5    UNK      26
83     C2     6    c1           c_4   -0.086000   8.330891     14.783813    16.897885    5    UNK      27
84     C3     6    c1           c_4   -0.086000   7.561641     16.035438    17.275375    5    UNK      28
85     C4     6    c1           c_4   -0.086000   8.103305     16.615261    18.570489    5    UNK      29
86     C5     6    c2           c_4   -0.129000   7.296670     17.831328    18.989756    5    UNK      30
87     H6     1    h3           h_1    0.043000   9.351306     12.714590    15.898025    5    UNK      25
88     H7     1    h3           h_1    0.043000   7.849924     12.160620    15.058660    5    UNK      25
89     H8     1    h3           h_1    0.043000   9.068077     13.157298    14.166132    5    UNK      25
90     H9     1    h3           h_1    0.043000   6.758284     14.024960    15.632221    5    UNK      26
91     H10    1    h3           h_1    0.043000   7.999963     15.027546    14.778685    5    UNK      26
92     H11    1    h3           h_1    0.043000   9.416201     15.016675    16.817445    5    UNK      27
93     H12    1    h3           h_1    0.043000   8.180144     14.004724    17.674137    5    UNK      27
94     H13    1    h3           h_1    0.043000   6.486951     15.770641    17.402368    5    UNK      28
95     H14    1    h3           h_1    0.043000   7.662409     16.783312    16.461788    5    UNK      28
96     H15    1    h3           h_1    0.043000   9.164708     16.905543    18.429827    5    UNK      29
97     H16    1    h3           h_1    0.043000   8.034523     15.846916    19.367121    5    UNK      29
98     H17    1    h3           h_1    0.043000   7.683035     18.212216    19.958682    5    UNK      30
99     H18    1    h3           h_1    0.043000   7.391352     18.622954    18.214136    5    UNK      30
100    H19    1    h3           h_1    0.043000   6.231048     17.545548    19.102207    5    UNK      30
101    C0     6    c2           c_4   -0.129000  -5.489966     16.146765    14.803562    6    UNK      31
102    C1     6    c1           c_4   -0.086000  -4.404771     16.468985    15.819354    6    UNK      32
103    C2     6    c1           c_4   -0.086000  -3.966539     15.231354    16.580086    6    UNK      33
104    C3     6    c1           c_4   -0.086000  -2.895205     15.594963    17.590453    6    UNK      34
105    C4     6    c1           c_4   -0.086000  -2.394424     14.347784    18.298039    6    UNK      35
106    C5     6    c2           c_4   -0.129000  -1.368389     14.710114    19.356921    6    UNK      36
107    H6     1    h3           h_1    0.043000  -5.731777     15.067958    14.796863    6    UNK      31
108    H7     1    h3           h_1    0.043000  -6.402450     16.726081    15.054521    6    UNK      31
109    H8     1    h3           h_1    0.043000  -5.139513     16.449433    13.788691    6    UNK      31
110    H9     1    h3           h_1    0.043000  -4.799900     17.219847    16.532506    6    UNK      32
111    H10    1    h3           h_1    0.043000  -3.532154     16.899881    15.281142    6    UNK      32
112    H11    1    h3           h_1    0.043000  -3.567124     14.485459    15.857105    6    UNK      33
113    H12    1    h3           h_1    0.043000  -4.843595     14.798813    17.105398    6    UNK      33
114    H13    1    h3           h_1    0.043000  -3.329769     16.300798    18.334869    6    UNK      34
115    H14    1    h3           h_1    0.043000  -2.051938     16.088529    17.064442    6    UNK      34
116    H15    1    h3           h_1    0.043000  -1.935232     13.661833    17.556932    6    UNK      35
117    H16    1    h3           h_1    0.043000  -3.251085     13.841025    18.786952    6    UNK      35
118    H17    1    h3           h_1    0.043000  -1.048499     13.789274    19.888801    6    UNK      36
119    H18    1    h3           h_1    0.043000  -0.487432     15.184383    18.870909    6    UNK      36
120    H19    1    h3           h_1    0.043000  -1.820537     15.418181    20.080847    6    UNK      36
121    C0     6    c2           c_4   -0.129000   22.470252   -1.819930    -0.174752     7    UNK      37
122    C1     6    c1           c_4   -0.086000   21.147341   -1.077941    -0.062205     7    UNK      38
123    C2     6    c1           c_4   -0.086000   19.969722   -2.034761    -0.048102     7    UNK      39
124    C3     6    c1           c_4   -0.086000   18.670633   -1.258084     0.051647     7    UNK      40
125    C4     6    c1           c_4   -0.086000   17.493155   -2.212605     0.148350     7    UNK      41
126    C5     6    c2           c_4   -0.129000   16.184136   -1.444144     0.182975     7    UNK      42
127    H6     1    h3           h_1    0.043000   22.320301   -2.915061    -0.198101     7    UNK      37
128    H7     1    h3           h_1    0.043000   22.985402   -1.499921    -1.103961     7    UNK      37
129    H8     1    h3           h_1    0.043000   23.110285   -1.556891     0.700209     7    UNK      37
130    H9     1    h3           h_1    0.043000   21.053417   -0.389877    -0.926065     7    UNK      38
131    H10    1    h3           h_1    0.043000   21.152523   -0.484849     0.878549     7    UNK      38
132    H11    1    h3           h_1    0.043000   20.069878   -2.718089     0.824610     7    UNK      39
133    H12    1    h3           h_1    0.043000   19.976452   -2.632276    -0.983625     7    UNK      39
134    H13    1    h3           h_1    0.043000   18.564159   -0.620249    -0.855564     7    UNK      40
135    H14    1    h3           h_1    0.043000   18.701481   -0.612349     0.953571     7    UNK      40
136    H15    1    h3           h_1    0.043000   17.587973   -2.824086     1.069071     7    UNK      41
137    H16    1    h3           h_1    0.043000   17.494593   -2.879278    -0.737794     7    UNK      41
138    H17    1    h3           h_1    0.043000   15.337348   -2.162019     0.210873     7    UNK      42
139    H18    1    h3           h_1    0.043000   16.157028   -0.801027     1.090107     7    UNK      42
140    H19    1    h3           h_1    0.043000   16.104201   -0.811746    -0.724520     7    UNK      42
141    C0     6    c2           c_4   -0.129000   20.527357    17.676988    15.225764    8    UNK      43
142    C1     6    c1           c_4   -0.086000   19.880179    17.151732    16.497996    8    UNK      44
143    C2     6    c1           c_4   -0.086000   19.639946    15.655220    16.425681    8    UNK      45
144    C3     6    c1           c_4   -0.086000   18.982837    15.172279    17.704659    8    UNK      46
145    C4     6    c1           c_4   -0.086000   18.814012    13.663191    17.671979    8    UNK      47
146    C5     6    c2           c_4   -0.129000   18.098096    13.178723    18.920186    8    UNK      48
147    H6     1    h3           h_1    0.043000   20.722108    16.862644    14.503780    8    UNK      43
148    H7     1    h3           h_1    0.043000   19.853650    18.426322    14.761186    8    UNK      43
149    H8     1    h3           h_1    0.043000   21.491841    18.173141    15.486516    8    UNK      43
150    H9     1    h3           h_1    0.043000   18.913577    17.673979    16.644443    8    UNK      44
151    H10    1    h3           h_1    0.043000   20.550958    17.377010    17.355963    8    UNK      44
152    H11    1    h3           h_1    0.043000   20.615676    15.139151    16.283495    8    UNK      45
153    H12    1    h3           h_1    0.043000   18.979858    15.435059    15.560763    8    UNK      45
154    H13    1    h3           h_1    0.043000   17.985960    15.660203    17.801455    8    UNK      46
155    H14    1    h3           h_1    0.043000   19.617230    15.457293    18.569359    8    UNK      46
156    H15    1    h3           h_1    0.043000   19.811054    13.181280    17.606436    8    UNK      47
157    H16    1    h3           h_1    0.043000   18.212265    13.385993    16.782727    8    UNK      47
158    H17    1    h3           h_1    0.043000   17.948401    12.080317    18.854857    8    UNK      48
159    H18    1    h3           h_1    0.043000   18.713301    13.418012    19.815444    8    UNK      48
160    H19    1    h3           h_1    0.043000   17.113522    13.682943    18.999174    8    UNK      48
161    C0     6    c2           c_4   -0.129000   20.410915   -0.631322     14.286895    9    UNK      49
162    C1     6    c1           c_4   -0.086000   19.857567   -0.437161     15.690254    9    UNK      50
163    C2     6    c1           c_4   -0.086000   19.591739   -1.765167     16.374524    9    UNK      51
164    C3     6    c1           c_4   -0.086000   19.029603   -1.530328     17.763646    9    UNK      52
165    C4     6    c1           c_4   -0.086000   18.837871   -2.853575     18.484181    9    UNK      53
166    C5     6    c2           c_4   -0.129000   18.214695   -2.632105     19.850880    9    UNK      54
167    H6     1    h3           h_1    0.043000   20.537559   -1.702794     14.045536    9    UNK      49
168    H7     1    h3           h_1    0.043000   19.713514   -0.170461     13.557202    9    UNK      49
169    H8     1    h3           h_1    0.043000   21.399552   -0.120088     14.211887    9    UNK      49
170    H9     1    h3           h_1    0.043000   18.912628    0.138009     15.621140    9    UNK      50
171    H10    1    h3           h_1    0.043000   20.596178    0.143516     16.285294    9    UNK      50
172    H11    1    h3           h_1    0.043000   20.546196   -2.333333     16.443761    9    UNK      51
173    H12    1    h3           h_1    0.043000   18.863317   -2.345304     15.770278    9    UNK      51
174    H13    1    h3           h_1    0.043000   18.050141   -1.007750     17.669993    9    UNK      52
175    H14    1    h3           h_1    0.043000   19.733291   -0.892461     18.337530    9    UNK      52
176    H15    1    h3           h_1    0.043000   19.820014   -3.355695     18.602067    9    UNK      53
177    H16    1    h3           h_1    0.043000   18.164923   -3.498223     17.883118    9    UNK      53
178    H17    1    h3           h_1    0.043000   18.045175   -3.614135     20.340832    9    UNK      54
179    H18    1    h3           h_1    0.043000   18.901002   -2.018261     20.474900    9    UNK      54
180    H19    1    h3           h_1    0.043000   17.246336   -2.104610     19.733008    9    UNK      54
181    C0     6    c2           c_4   -0.129000  -5.377296    -0.387054     14.936482    10   UNK      55
182    C1     6    c1           c_4   -0.086000  -4.048038    -0.514617     15.664569    10   UNK      56
183    C2     6    c1           c_4   -0.086000  -4.096869    -1.592272     16.731698    10   UNK      57
184    C3     6    c1           c_4   -0.086000  -2.759919    -1.679995     17.442809    10   UNK      58
185    C4     6    c1           c_4   -0.086000  -2.776283    -2.811297     18.456122    10   UNK      59
186    C5     6    c2           c_4   -0.129000  -1.464212    -2.864635     19.218283    10   UNK      60
187    H6     1    h3           h_1    0.043000  -6.115032    -1.122272     15.307351    10   UNK      55
188    H7     1    h3           h_1    0.043000  -5.773666     0.638454     15.086272    10   UNK      55
189    H8     1    h3           h_1    0.043000  -5.211908    -0.553034     13.845846    10   UNK      55
190    H9     1    h3           h_1    0.043000  -3.807743     0.459827     16.134914    10   UNK      56
191    H10    1    h3           h_1    0.043000  -3.259659    -0.766114     14.921596    10   UNK      56
192    H11    1    h3           h_1    0.043000  -4.333815    -2.567181     16.250030    10   UNK      57
193    H12    1    h3           h_1    0.043000  -4.893210    -1.342369     17.463586    10   UNK      57
194    H13    1    h3           h_1    0.043000  -2.566086    -0.713274     17.961542    10   UNK      58
195    H14    1    h3           h_1    0.043000  -1.961271    -1.862203     16.694241    10   UNK      58
196    H15    1    h3           h_1    0.043000  -2.939027    -3.774983     17.931288    10   UNK      59
197    H16    1    h3           h_1    0.043000  -3.602554    -2.640133     19.175627    10   UNK      59
198    H17    1    h3           h_1    0.043000  -1.514848    -3.670258     19.980897    10   UNK      60
199    H18    1    h3           h_1    0.043000  -0.633288    -3.074803     18.509329    10   UNK      60
200    H19    1    h3           h_1    0.043000  -1.289301    -1.890706     19.719014    10   UNK      60
190
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